2,5-Diaminobenzene-1,3-disulfonic acid

Base Information

• Chemical Name: 2,5-Diaminobenzene-1,3-disulfonic acid
• CAS No.: 6409-48-9
• Molecular Formula: C6H8 N2 O6 S2
• Molecular Weight: 268.271
• DSSTox Substance ID: DTXSID00570455
• Nikkaji Number: J1.898.458J
• Wikidata: Q72462651
• Mol file: 6409-48-9.mol

Synonyms:2,5-diaminobenzene-1,3-disulfonic acid;6409-48-9;2,5-DIAMINO-1,3-BENZENEDISULFONIC ACID;p-Phenylenediamine-2,6-disulfonic acid;SCHEMBL1270607;DTXSID00570455;AKOS015891341;2,5-diaminobenzene-1,3-disulfonicacid;2,5-bis(azanyl)benzene-1,3-disulfonic acid;A834638

Chemical Property of 2,5-Diaminobenzene-1,3-disulfonic acid

Chemical Property:

• PKA: -1.81±0.50(Predicted)
• PSA: 177.54000
• Density: 1.922g/cm³
• LogP: 2.66840
• Storage Temp.: 2-8°C
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 267.98237833
• Heavy Atom Count: 16
• Complexity: 404

Purity/Quality:

97% ^*data from raw suppliers

2,5-Diamino-1,3-benzenedisulfonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1S(=O)(=O)O)N)S(=O)(=O)O)N
• Uses: 2,5-Diamino-1,3-benzenedisulfonic Acid is used as a reagent in the synthesis of asymmetric dianilides as intermediates for triphenodioxazine reactive dyes.

Technology Process of 2,5-Diaminobenzene-1,3-disulfonic acid

There total 5 articles about 2,5-Diaminobenzene-1,3-disulfonic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2-amino-5-(4-sulfo-phenylazo)-benzene-1,3-disulfonic acid → 1,4-phenylenediamine-2,6-disulphonic acid (6409-48-9) + 4-aminobenzene sulfonic acid (121-57-3,856062-06-1)

Guidance literature:

With hydrogenchloride; tin(ll) chloride;

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + 2-amino-5-(4-sulfo-phenylazo)-benzene-1,3-disulfonic acid → 1,4-phenylenediamine-2,6-disulphonic acid (6409-48-9) + 4-aminobenzene sulfonic acid (121-57-3,856062-06-1)

Guidance literature:

Reference yield:

p-phenylenediammonium sulfate (16245-77-5,50994-40-6) → 1,4-phenylenediamine-2,6-disulphonic acid (6409-48-9)

Guidance literature:

With sulfuric acid; at 140 ℃;

upstream raw materials:

p-phenylenediammonium sulfate

hydrogenchloride

4-phenylazoaniline hydrochloride

Downstream raw materials:

2,4,6-Trinitrophenol

C₁₂H₁₇ClN₂O₉S₃

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